Geometry & MOs

Info

ID:	118900
PubChem CID:	50663371
Reduced:	ClO4N5C30H38 (1)
Stoich.:	AB4C5D30E38 (1)
Weight, g/mol:	553.245582
ΔH_f, kcal/mol:	-173.43
Dipole, Da:	10.55
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations